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BOUPMLFRJHTVPI-NDSBJKKJSA-N

View entire compound with spectra: 1 NMR

BOUPMLFRJHTVPI-NDSBJKKJSA-N
SpectraBase Compound ID Br5d2uw6GAq
InChI InChI=1S/C66H86N4O8/c1-62(2)51-48-41-28-27-40(67-41)39-66(57(65(66,7)8)61(74)78-38-26-22-18-14-10-13-17-19-23-35-75-58(71)54(51)62)47-34-33-46(70-47)50-45-32-31-44(69-45)49(43-30-29-42(48)68-43)52-55(63(52,3)4)59(72)76-36-24-20-15-11-9-12-16-21-25-37-77-60(73)56-53(50)64(56,5)6/h27-34,39,51-57,67,69H,9-26,35-38H2,1-8H3/b40-39-,48-41+,49-43+,50-46+
InChIKey BOUPMLFRJHTVPI-NDSBJKKJSA-N
Mol Weight 1063.4 g/mol
Molecular Formula C66H86N4O8
Exact Mass 1062.644566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDNxZgqDJDq
Name BOUPMLFRJHTVPI-NDSBJKKJSA-N
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H86N4O8
InChI InChI=1S/C66H86N4O8/c1-62(2)51-48-41-28-27-40(67-41)39-66(57(65(66,7)8)61(74)78-38-26-22-18-14-10-13-17-19-23-35-75-58(71)54(51)62)47-34-33-46(70-47)50-45-32-31-44(69-45)49(43-30-29-42(48)68-43)52-55(63(52,3)4)59(72)76-36-24-20-15-11-9-12-16-21-25-37-77-60(73)56-53(50)64(56,5)6/h27-34,39,51-57,67,69H,9-26,35-38H2,1-8H3/b40-39-,48-41+,49-43+,50-46+
InChIKey BOUPMLFRJHTVPI-NDSBJKKJSA-N
Literature Reference Author R.E.HADDAD,S.GAZEAU,J.PECAUT,J.C.MARCHON,C.J.MEDFORTH,J.A.SH ELNUTT
Literature Reference Citation J.AM.CHEM.SOC.,125,1253(2003)
Literature Reference DOI 10.1021/ja0280933
Molecular Weight 1063.431 g/mol
Sample ID 41513
Solvent CDCl3